Mol:FL3FALNR0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1052 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1052 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1052 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1052 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5489 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5489 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0074 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0074 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0074 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0074 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5489 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5489 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5637 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1200 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1200 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1200 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1200 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5637 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5637 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6761 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6761 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2431 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2431 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8101 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8101 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8101 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8101 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2431 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2431 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6761 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6761 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3236 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3236 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5489 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5489 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2431 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2431 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6761 -0.3268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.6761 -0.3268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.6655 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6655 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2161 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2161 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2055 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2055 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7763 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7763 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6613 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6613 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2162 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2162 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7699 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7699 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3236 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3236 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7699 -0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7699 -0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4624 1.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4624 1.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9624 2.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9624 2.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -1.4624 1.2554 | + | M SVB 1 34 -1.4624 1.2554 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNR0003 | + | ID FL3FALNR0003 |
| − | KNApSAcK_ID C00004062 | + | KNApSAcK_ID C00004062 |
| − | NAME Cycloartocarpin;isoartocarpin | + | NAME Cycloartocarpin;isoartocarpin |
| − | CAS_RN 5912-09-4 | + | CAS_RN 5912-09-4 |
| − | FORMULA C26H26O6 | + | FORMULA C26H26O6 |
| − | EXACTMASS 434.172938564 | + | EXACTMASS 434.172938564 |
| − | AVERAGEMASS 434.48103999999995 | + | AVERAGEMASS 434.48103999999995 |
| − | SMILES CC(C)=CC(C4=2)Oc(c1)c(C2Oc(c(C4=O)3)cc(OC)c(CC=C(C)C)c3O)ccc(O)1 | + | SMILES CC(C)=CC(C4=2)Oc(c1)c(C2Oc(c(C4=O)3)cc(OC)c(CC=C(C)C)c3O)ccc(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.1052 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1052 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5489 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5489 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6761 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2431 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8101 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8101 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2431 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6761 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3236 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5489 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2431 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6761 -0.3268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.6655 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2161 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2055 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7763 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6613 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2162 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7699 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3236 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7699 -0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4624 1.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 2.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 15 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
8 21 1 0 0 0 0
21 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -1.4624 1.2554
S SKP 8
ID FL3FALNR0003
KNApSAcK_ID C00004062
NAME Cycloartocarpin;isoartocarpin
CAS_RN 5912-09-4
FORMULA C26H26O6
EXACTMASS 434.172938564
AVERAGEMASS 434.48103999999995
SMILES CC(C)=CC(C4=2)Oc(c1)c(C2Oc(c(C4=O)3)cc(OC)c(CC=C(C)C)c3O)ccc(O)1
M END
